4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine

C13H18N4O — CID 13114269

IUPAC4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine
SMILESCc1cc(N2CCOCC2)n2c(C)nc(C)c2n1
InChIInChI=1S/C13H18N4O/c1-9-8-12(16-4-6-18-7-5-16)17-11(3)15-10(2)13(17)14-9/h8H,4-7H2,1-3H3
InChIKeyXHWROOIDCFFMRQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.49
Rot. Bonds1

About 4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine

4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine (PubChem CID 13114269) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine
PubChem CID13114269
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine
SMILESCc1cc(N2CCOCC2)n2c(C)nc(C)c2n1
InChIInChI=1S/C13H18N4O/c1-9-8-12(16-4-6-18-7-5-16)17-11(3)15-10(2)13(17)14-9/h8H,4-7H2,1-3H3
InChIKeyXHWROOIDCFFMRQ-UHFFFAOYSA-N
XLogP1.49
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine (CID 13114269) is 4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine is Cc1cc(N2CCOCC2)n2c(C)nc(C)c2n1.
What is the InChIKey of 4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine?
The InChIKey is XHWROOIDCFFMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-8-12(16-4-6-18-7-5-16)17-11(3)15-10(2)13(17)14-9/h8H,4-7H2,1-3H3.
What are the key properties of 4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine?
4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine has a molecular weight of 246.31 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6,8-trimethylimidazo[1,5-a]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 13114269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).